CID 13651440

Fp2ppa

Structural Information

Molecular Formula
C22H17F
SMILES
CCC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C22H17F/c1-2-17-5-11-20(12-6-17)21-13-7-18(8-14-21)3-4-19-9-15-22(23)16-10-19/h5-16H,2H2,1H3
InChIKey
NAGKDILCOYTCPU-UHFFFAOYSA-N
Compound name
1-ethyl-4-[4-[2-(4-fluorophenyl)ethynyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.13144 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13872 176.0
[M+Na]+ 323.12066 186.9
[M-H]- 299.12416 181.0
[M+NH4]+ 318.16526 189.0
[M+K]+ 339.09460 176.2
[M+H-H2O]+ 283.12870 160.6
[M+HCOO]- 345.12964 192.0
[M+CH3COO]- 359.14529 185.2
[M+Na-2H]- 321.10611 177.6
[M]+ 300.13089 168.7
[M]- 300.13199 168.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe